2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide

C10H8ClF4NO — CID 104513169

IUPAC2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
SMILESNC(=O)C(Cl)Cc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H8ClF4NO/c11-7(9(16)17)4-5-1-2-8(12)6(3-5)10(13,14)15/h1-3,7H,4H2,(H2,16,17)
InChIKeyBGHAVBJHZOFGCF-UHFFFAOYSA-N
MW269.63 g/mol
LogP2.48
Rot. Bonds3

About 2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide

2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 104513169) has the molecular formula C10H8ClF4NO and a molecular weight of 269.63 g/mol. Its IUPAC name is 2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
PubChem CID104513169
Molecular FormulaC10H8ClF4NO
Molecular Weight269.63 g/mol
Exact Mass269.02
IUPAC Name2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
SMILESNC(=O)C(Cl)Cc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H8ClF4NO/c11-7(9(16)17)4-5-1-2-8(12)6(3-5)10(13,14)15/h1-3,7H,4H2,(H2,16,17)
InChIKeyBGHAVBJHZOFGCF-UHFFFAOYSA-N
XLogP2.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.63
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 67073311
ethyl 2-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoate
CID 79019964
3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171272
4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 163781390
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]guanidine
CID 71510299
N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 171688977
[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonic acid
CID 141423589
3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol
CID 143164725
4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469
1-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol;(2R)-2-(chloromethyl)oxirane
CID 160712634
[4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite
CID 144961841
3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 107290244

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide (CID 104513169) is 2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide is NC(=O)C(Cl)Cc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is BGHAVBJHZOFGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF4NO/c11-7(9(16)17)4-5-1-2-8(12)6(3-5)10(13,14)15/h1-3,7H,4H2,(H2,16,17).
What are the key properties of 2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide?
2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 269.63 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 104513169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).